| SpectraBase Compound ID | 18xH52Fxatj |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-2-3-4-5-6-10-14-24-19(21)16-23-17-20(22)25-15-13-18-11-8-7-9-12-18/h7-9,11-12H,2-6,10,13-17H2,1H3 |
| InChIKey | NVPMXCQYKLEGAZ-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJoff8ltiN9 |
|---|---|
| Name | Diglycolic acid, octyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-2-3-4-5-6-10-14-24-19(21)16-23-17-20(22)25-15-13-18-11-8-7-9-12-18/h7-9,11-12H,2-6,10,13-17H2,1H3 |
| InChIKey | NVPMXCQYKLEGAZ-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCC)(=O)OCCC1=CC=CC=C1 |